N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-piperonyl-benzamide Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN2O5S/c22-14-2-5-16(6-3-14)30-20-8-4-15(24(26)27)10-17(20)21(25)23-11-13-1-7-18-19(9-13)29-12-28-18/h1-10H,11-12H2,(H,23,25)